| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 17 | Yes |
Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]prop-2-en-1-amine N-[2-(4-cyclopentylpiperazin-1-y…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.71 | 6.1 | -88.56 | 3 | 3 | 2 | 24 | 239.407 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.71 | 2.51 | -1.11 | 1 | 3 | 0 | 19 | 237.391 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.71 | 4.72 | -31.21 | 2 | 3 | 1 | 20 | 238.399 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.71 | 3.89 | -37.11 | 2 | 3 | 1 | 23 | 238.399 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
